1-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethyl)urea

C9H10F3N3O — CID 934768

IUPAC1-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCc1cccc(NC(=O)NCC(F)(F)F)n1
InChIInChI=1S/C9H10F3N3O/c1-6-3-2-4-7(14-6)15-8(16)13-5-9(10,11)12/h2-4H,5H2,1H3,(H2,13,14,15,16)
InChIKeyDZDVKXBKFDRAIM-UHFFFAOYSA-N
MW233.19 g/mol
LogP2.07
Rot. Bonds2

About 1-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethyl)urea

1-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 934768) has the molecular formula C9H10F3N3O and a molecular weight of 233.19 g/mol. Its IUPAC name is 1-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID934768
Molecular FormulaC9H10F3N3O
Molecular Weight233.19 g/mol
Exact Mass233.08
IUPAC Name1-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCc1cccc(NC(=O)NCC(F)(F)F)n1
InChIInChI=1S/C9H10F3N3O/c1-6-3-2-4-7(14-6)15-8(16)13-5-9(10,11)12/h2-4H,5H2,1H3,(H2,13,14,15,16)
InChIKeyDZDVKXBKFDRAIM-UHFFFAOYSA-N
XLogP2.07
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethylcarbamoylamino)propanamide
CID 86861206
1-(2-methylquinolin-8-yl)-3-(2,2,2-trifluoroethyl)urea
CID 116655765
methyl 2-[[2-[(6-methyl-2-pyridinyl)carbamoylamino]acetyl]amino]acetate
CID 126839933
1-(6-methyl-2-pyridinyl)-3-(2-phenylethyl)urea
CID 108888073
1-(2-methoxyethoxymethyl)-3-(6-methyl-2-pyridinyl)urea
CID 108894432
N-(6-methyl-2-pyridinyl)propanamide
CID 5057760
1-(2-fluoro-3-methylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 114254796
1-(1,3-dioxan-2-ylmethyl)-3-(6-methyl-2-pyridinyl)urea
CID 127265841
1-(6-methyl-2-pyridinyl)-3-(2-phenoxyethyl)urea
CID 108887059
1-[2-(4-bromophenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea
CID 108902373
1-[2-(3-methylphenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea
CID 108900770
2-ethyl-N-(6-methyl-2-pyridinyl)butanamide
CID 5060766

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethyl)urea (CID 934768) is 1-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethyl)urea is Cc1cccc(NC(=O)NCC(F)(F)F)n1.
What is the InChIKey of 1-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is DZDVKXBKFDRAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O/c1-6-3-2-4-7(14-6)15-8(16)13-5-9(10,11)12/h2-4H,5H2,1H3,(H2,13,14,15,16).
What are the key properties of 1-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethyl)urea?
1-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 233.19 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 934768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).